2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

C14H15F2N5O2S — CID 43059897

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H15F2N5O2S/c15-13(16)23-11-4-2-1-3-9(11)7-17-12(22)8-24-14-18-19-20-21(14)10-5-6-10/h1-4,10,13H,5-8H2,(H,17,22)
InChIKeyZESSRJNRGBNVMP-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.02
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 43059897) has the molecular formula C14H15F2N5O2S and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID43059897
Molecular FormulaC14H15F2N5O2S
Molecular Weight355.37 g/mol
Exact Mass355.09
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCc1ccccc1OC(F)F
InChIInChI=1S/C14H15F2N5O2S/c15-13(16)23-11-4-2-1-3-9(11)7-17-12(22)8-24-14-18-19-20-21(14)10-5-6-10/h1-4,10,13H,5-8H2,(H,17,22)
InChIKeyZESSRJNRGBNVMP-UHFFFAOYSA-N
XLogP2.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 39695126
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 51245020
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 31813598
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30462257
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide
CID 27096825
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 55526851
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 39639994
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-diphenylpropan-2-yl)acetamide
CID 55632212
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 31821740
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 41368833

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (CID 43059897) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is O=C(CSc1nnnn1C1CC1)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is ZESSRJNRGBNVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O2S/c15-13(16)23-11-4-2-1-3-9(11)7-17-12(22)8-24-14-18-19-20-21(14)10-5-6-10/h1-4,10,13H,5-8H2,(H,17,22).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 43059897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).